| CAS Number | 1542935-15-8 |
| Catalog Number | AG01C2JH |
| Chemical Name | 5-(2-methylphenoxy)pyridine-2-carboxylic acid |
| IUPAC Name | 5-(2-methylphenoxy)pyridine-2-carboxylic acid |
| InChI | InChI=1S/C13H11NO3/c1-9-4-2-3-5-12(9)17-10-6-7-11(13(15)16)14-8-10/h2-8H,1H3,(H,15,16) |
| InChI Key | VGMKSSALQMFMFJ-UHFFFAOYSA-N |
| MDL Number | MFCD25214783 |
| Molecular Formula | C13H11NO3 |
| Molecular Weight | 229.2313 |
| SMILES | CC1=C(OC2=CN=C(C(O)=O)C=C2)C=CC=C1 |
| Synonyms | 5-(2-methylphenoxy)pyridine-2-carboxylic acid,
1542935-15-8,
ZINC84019111,
AKOS023372045,
Z1680796846,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.235g/mol |
| Monoisotopic Mass | 229.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number